Information card for entry 4125923

Structure parameters

• Formula: C31 H38 O11
• Calculated formula: C31 H38 O11
• SMILES: [C@@]1([C@H]2[C@@]3([C@@H](CC(=O)O3)O1)C[C@@]13CC[C@@]4(C(=O)[C@H]([C@@H]5[C@]6(C[C@@H](C(=O)O6)C)O[C@]([C@H]45)(C(=C1CC2)OC(=O)C)O3)C)C)(C)CO.[C@]1([C@@H]2[C@]3([C@H](CC(=O)O3)O1)C[C@]13CC[C@]4(C(=O)[C@@H]([C@H]5[C@@]6(C[C@H](C(=O)O6)C)O[C@@]([C@@H]45)(C(=C1CC2)OC(=O)C)O3)C)C)(C)CO
• Title of publication: Asymmetric Total Synthesis of Lancifodilactone G Acetate.
• Authors of publication: Liu, Dong-Dong; Sun, Tian-Wen; Wang, Kuang-Yu; Lu, Yong; Zhang, Su-Lei; Li, Yuan-He; Jiang, Yan-Long; Chen, Jia-Hua; Yang, Zhen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 16
• Pages of publication: 5732 - 5735
• a: 13.8165 ± 0.0011 Å
• b: 16.1678 ± 0.0012 Å
• c: 17.3578 ± 0.0017 Å
• α: 80.09 ± 0.007°
• β: 81.32 ± 0.007°
• γ: 77.271 ± 0.007°
• Cell volume: 3699.8 ± 0.6 ų
• Cell temperature: 180.01 ± 0.1 K
• Ambient diffraction temperature: 180.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.179
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.2179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No